N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine

C18H18FN5 — CID 156563868

IUPACN-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
SMILESFc1ccc(Nc2ccc3c(c2)N(CCn2cncn2)CC3)cc1
InChIInChI=1S/C18H18FN5/c19-15-2-5-16(6-3-15)22-17-4-1-14-7-8-23(18(14)11-17)9-10-24-13-20-12-21-24/h1-6,11-13,22H,7-10H2
InChIKeyXYQSTGWQFNXZTQ-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.22
Rot. Bonds5

About N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine

N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine (PubChem CID 156563868) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
PubChem CID156563868
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC NameN-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine
SMILESFc1ccc(Nc2ccc3c(c2)N(CCn2cncn2)CC3)cc1
InChIInChI=1S/C18H18FN5/c19-15-2-5-16(6-3-15)22-17-4-1-14-7-8-23(18(14)11-17)9-10-24-13-20-12-21-24/h1-6,11-13,22H,7-10H2
InChIKeyXYQSTGWQFNXZTQ-UHFFFAOYSA-N
XLogP3.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The IUPAC name of N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine (CID 156563868) is N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine is Fc1ccc(Nc2ccc3c(c2)N(CCn2cncn2)CC3)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
The InChIKey is XYQSTGWQFNXZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-15-2-5-16(6-3-15)22-17-4-1-14-7-8-23(18(14)11-17)9-10-24-13-20-12-21-24/h1-6,11-13,22H,7-10H2.
What are the key properties of N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine?
N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine has a molecular weight of 323.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 156563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).